Parameterized quantum circuits (PQCs) are central to variational quantum algorithms (VQAs), yet their performance is hindered by complex loss landscapes that make their trainability challenging. Quantum natural gradient descent, which leverages the geometry of the parameterized space through quantum generalizations of the Fisher information matrix, offers a promising solution but has been largely limited to pure-state scenarios, with only approximate methods available for mixed-state settings. This paper addresses this question, originally posed in [Stokes et al., Quantum 4, 269 (2020)], by providing exact methods to compute three quantum generalizations of the Fisher information matrix-the Fisher-Bures, Wigner-Yanase, and Kubo-Mori information matrices-for PQCs initialized with thermal states. We prove that these matrix elements can be estimated using quantum algorithms combining the Hadamard test, classical random sampling, and Hamiltonian simulation. By broadening the set of quantum generalizations of Fisher information and realizing their unbiased estimation, our results enable the implementation of quantum natural gradient descent algorithms for mixed-state PQCs, thereby enhancing the flexibility of optimization when using VQAs. Another immediate consequence of our findings is to establish fundamental limitations on the ability to estimate the parameters of a state generated by an unknown PQC, when given sample access to such a state.
Parameterized quantum circuits (PQCs) are central to variational quantum algorithms (VQAs), yet their performance is hindered by complex loss landscapes that make their trainability challenging. Quantum natural gradient descent, which leverages the geometry of the parameterized space through quantum generalizations of the Fisher information matrix, offers a promising solution but has been largely limited to pure-state scenarios, with only approximate methods available for mixed-state settings. This paper addresses this question, originally posed in [Stokes et al., Quantum 4, 269 (2020)], by providing exact methods to compute three quantum generalizations of the Fisher information matrix-the Fisher-Bures, Wigner-Yanase, and Kubo-Mori information matrices-for PQCs initialized with thermal states. We prove that these matrix elements can be estimated using quantum algorithms combining the Hadamard test, classical random sampling, and Hamiltonian simulation. By broadening the set of quantum generalizations of Fisher information and realizing their unbiased estimation, our results enable the implementation of quantum natural gradient descent algorithms for mixed-state PQCs, thereby enhancing the flexibility of optimization when using VQAs. Another immediate consequence of our findings is to establish fundamental limitations on the ability to estimate the parameters of a state generated by an unknown PQC, when given sample access to such a state.
Thermal states play a fundamental role in various areas of physics, and they are becoming increasingly important in quantum information science, with applications related to semidefinite programming, quantum Boltzmann machine learning, Hamiltonian learning, and the related task of estimating the parameters of a Hamiltonian. Here we establish formulas underlying the basic geometry of parameterized thermal states, and we delineate quantum algorithms for estimating the values of these formulas. More specifically, we establish formulas for the Fisher--Bures and Kubo--Mori information matrices of parameterized thermal states, and our quantum algorithms for estimating their matrix elements involve a combination of classical sampling, Hamiltonian simulation, and the Hadamard test. These results have applications in developing a natural gradient descent algorithm for quantum Boltzmann machine learning, which takes into account the geometry of thermal states, and in establishing fundamental limitations on the ability to estimate the parameters of a Hamiltonian, when given access to thermal-state samples. For the latter task, and for the special case of estimating a single parameter, we sketch an algorithm that realizes a measurement that is asymptotically optimal for the estimation task. We finally stress that the natural gradient descent algorithm developed here can be used for any machine learning problem that employs the quantum Boltzmann machine ansatz.
Abstract Variational Quantum Algorithms (VQAs) are widely regarded as the most promising route to practical quantum advantage on Noisy Intermediate-Scale Quantum (NISQ) hardware, but their trainability is threatened by the barren plateau phenomenon, in which cost-function gradients vanish exponentially with system size and circuit depth. Standard first-order optimizers, which treat the parameter space of a parameterized quantum circuit (PQC) as flat Euclidean space, are especially vulnerable to this effect and to the additional gradient suppression introduced by hardware noise. This extended treatment presents (i) a from-first-principles derivation of Quantum Natural Gradient (QNG) descent, tracing its lineage from Amari's classical information geometry [1] through the Fubini-Study metric to the Quantum Fisher Information Matrix (QFIM); (ii) a complete taxonomy of barren-plateau mechanisms (expressibility-induced, entanglement-induced, cost-function-locality-induced, and noise-induced); (iii) a comparative survey of the broader NISQ optimizer landscape (SPSA, Adam, COBYLA, Rotosolve, Quantum Natural SPSA, and reduced-cost QFIM estimators); and (iv) a controlled simulation study comparing QNG against vanilla gradient descent on a 4-qubit weighted MaxCut problem under three physically motivated NISQ noise models. Across 50 independent trials, QNG raised the convergence success rate from 30% to 95%, reduced the mean iteration count to convergence by a factor of roughly 6, and achieved a 16% net wall-clock speedup despite the added per-iteration cost of QFIM estimation. We give the full theoretical basis for these gains, an exhaustive discussion of their limitations, an A-to-Z glossary of the field's terminology, and a staged roadmap toward physical hardware validation. Figure placements throughout the document are annotated with detailed image-generation prompts so that the accompanying visual assets can be produced independently of this text.
Estimating the ground-state energy of Hamiltonians is a fundamental task for which it is believed that quantum computers can be helpful. Several approaches have been proposed toward this goal, including algorithms based on quantum phase estimation and hybrid quantum-classical optimizers involving parameterized quantum circuits, the latter falling under the umbrella of the variational quantum eigensolver. Here, we analyze the performance of quantum Boltzmann machines for this task, which is a less explored ansatz based on parameterized thermal states and which is not known to suffer from the barren-plateau problem. We delineate a hybrid quantum-classical algorithm for this task and rigorously prove that it converges to an ε-approximate stationary point of the energy function optimized over parameter space, while using a number of parameterized-thermal-state samples that is polynomial in ε−1, the number of parameters, and the norm of the Hamiltonian being optimized. Our algorithm estimates the gradient of the energy function efficiently by means of a quantum circuit construction that combines classical random sampling, Hamiltonian simulation, and the Hadamard test. Additionally, supporting our main claims are calculations of the gradient and Hessian of the energy function, as well as an upper bound on the matrix elements of the latter that is used in the convergence analysis.
We introduce evolved quantum Boltzmann machines as a variational ansatz for quantum optimization and learning tasks. Given two parameterized Hamiltonians G(θ) and H(ϕ), an evolved quantum Boltzmann machine consists of preparing a thermal state of the first Hamiltonian G(θ) followed by unitary evolution according to the second Hamiltonian H(ϕ). Alternatively, one can think of it as first realizing imaginary time evolution according to G(θ) followed by real time evolution according to H(ϕ). After defining this ansatz, we provide analytical expressions for the gradient vector and illustrate their application in ground-state energy estimation and generative modeling, showing how the gradient for these tasks can be estimated by means of quantum algorithms that involve classical sampling, Hamiltonian simulation, and the Hadamard test. We also establish analytical expressions for the Fisher-Bures, Wigner-Yanase, and Kubo-Mori information matrix elements of evolved quantum Boltzmann machines, as well as quantum algorithms for estimating each of them, which leads to at least three different general natural gradient descent algorithms based on this ansatz. Along the way, we establish a broad generalization of the main result of [Luo, Proc. Am. Math. Soc. 132, 885 (2004)], proving that the Fisher-Bures and Wigner-Yanase information matrices of general parameterized families of states differ by no more than a factor of two in the matrix (Loewner) order, making them essentially interchangeable for training when using natural gradient descent.
Noisy intermediate-scale quantum computers are useful for various tasks such as state preparation and variational quantum algorithms. However, the non-Euclidean quantum geometry of parameterized quantum circuits is detrimental for these applications. Here we introduce the natural parameterized quantum circuit (NPQC) that can be initialized with a Euclidean quantum geometry. The initial training of variational quantum algorithms is substantially sped up as the gradient is equivalent to the quantum natural gradient. Further, we show how to estimate the parameters of the NPQC by sampling the circuit, which could be used for benchmarking or calibrating NISQ hardware. For a general class of quantum circuits, the NPQC has the minimal quantum Cram\'er-Rao bound, which highlights its potential for quantum metrology. Finally, we show how to generate arbitrary superpositions of two states with the NPQCs for state preparation tasks. Our results can be used to enhance currently available quantum processors.
Parameterized quantum circuits (PQCs) are pivotal components of variational quantum algorithms (VQAs), which represent a promising pathway to quantum advantage in noisy intermediate-scale quantum (NISQ) devices. PQCs enable flexible encoding of quantum information through tunable quantum gates and have been successfully applied across domains such as quantum chemistry, combinatorial optimization, and quantum machine learning. Despite their potential, PQC performance on NISQ hardware is hindered by noise, decoherence, and the presence of barren plateaus, which can impede gradient-based optimization. To address these limitations, we propose novel methods for improving gradient-free optimizers Rotosolve, Fraxis, and FQS, incorporating information from previous parameter iterations. Our approach conserves computational resources by reallocating optimization efforts toward poorly optimized gates, leading to improved convergence. The experimental results demonstrate that our techniques consistently improve the performance of various optimizers, contributing to more robust and efficient PQC optimization.